methyl 3-nitro-5-[prop-2-enyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[prop-2-enyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 3-[allyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[prop-2-enyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[prop-2-enyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 3-[allyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC=C)C2=NC3=C(S2)CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC=C)C2=NC3=C(S2)CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S/c1-3-8-21(19-20-15-6-4-5-7-16(15)28-19)17(23)12-9-13(18(24)27-2)11-14(10-12)22(25)26/h3,9-11H,1,4-8H2,2H3